Compound Detail
CHEMBL4111671
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CN(C)C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4111671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYXXLNCSACYDRW-OAQYLSRUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.31
ALogP
6
HBA
1
HBD
61.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.31 | 8.31 | 4.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 4.9 | nM | 8.31 | Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 well plat... | - |
| Unchecked | IC50 | = | 4.9 | nM | 8.31 | P70S6K Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 we... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 4.9 | nM | 8.31 | Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 well plat... | - |
Data from ChEMBL 36 via Core Engine